2-(4-chloranyl-2,6-dimethyl-phenoxy)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-(4-chloranyl-2,6-dimethyl-phenoxy)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-(4-chloro-2,6-dimethyl-phenoxy)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone CAS Name: 2-(4-chloro-2,6-dimethylphenoxy)-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-chloro-2,6-dimethylphenoxy)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-(4-chloro-2,6-dimethyl-phenoxy)-1-(4-pyridin-1-ium-2-ylpiperazino)ethanone Formula: C19H23ClN3O2+ MolecularWeight: 360.85782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)C)Cl

Isomeric SMILES

CC1=CC(=CC(=C1OCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)C)Cl

InChI

InChI=1S/C19H22ClN3O2/c1-14-11-16(20)12-15(2)19(14)25-13-18(24)23-9-7-22(8-10-23)17-5-3-4-6-21-17/h3-6,11-12H,7-10,13H2,1-2H3/p+1